iron(2+); methanol; 1-methyl-2-[6-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)piperidin-1-id-2-yl]-3a,4,5,6,7,7a-hexahydrobenzimidazole; 1-methyl-2-[2-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)-2H-pyridin-1-id-6-yl]-3a,4,5,6,7,7a-hexahydrobenzimidazole; nitric acid; hydrate

Systemtic Name: iron(2+); methanol; 1-methyl-2-[6-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)piperidin-1-id-2-yl]-3a,4,5,6,7,7a-hexahydrobenzimidazole; 1-methyl-2-[2-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)-2H-pyridin-1-id-6-yl]-3a,4,5,6,7,7a-hexahydrobenzimidazole; nitric acid; hydrate Openeye Name: diferrous; methanol; 1-methyl-2-[6-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)piperidin-1-id-2-yl]-3a,4,5,6,7,7a-hexahydrobenzimidazole; 1-methyl-2-[2-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)-2H-pyridin-1-id-6-yl]-3a,4,5,6,7,7a-hexahydrobenzimidazole; nitric acid; hydrate CAS Name: iron(2+); methanol; 1-methyl-2-[6-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)-2-piperidin-1-idyl]-3a,4,5,6,7,7a-hexahydrobenzimidazole; 1-methyl-2-[2-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)-2H-pyridin-1-id-6-yl]-3a,4,5,6,7,7a-hexahydrobenzimidazole; nitric acid; hydrate IUPAC Name: iron(2+); methanol; 1-methyl-2-[6-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)piperidin-1-id-2-yl]-3a,4,5,6,7,7a-hexahydrobenzimidazole; 1-methyl-2-[2-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)-2H-pyridin-1-id-6-yl]-3a,4,5,6,7,7a-hexahydrobenzimidazole; nitric acid; hydrate Traditional Name: diferrous; methanol; 1-methyl-2-[6-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)piperidin-1-id-2-yl]-3a,4,5,6,7,7a-hexahydrobenzimidazole; 1-methyl-2-[2-(1-methyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-yl)-2H-pyridin-1-id-6-yl]-3a,4,5,6,7,7a-hexahydrobenzimidazole; nitric acid; hydrate Formula: C44H76Fe2N12O9+2 MolecularWeight: 1028.83924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCCCC2N=C1C3CCCC([N-]3)C4=NC5CCCCC5N4C.CN1C2CCCCC2N=C1C3C=CC=C([N-]3)C4=NC5CCCCC5N4C.CO.CO.[N+](=O)(O)[O-].[N+](=O)(O)[O-].O.[Fe+2].[Fe+2]

Isomeric SMILES

CN1C2CCCCC2N=C1C3CCCC([N-]3)C4=NC5CCCCC5N4C.CN1C2CCCCC2N=C1C3C=CC=C([N-]3)C4=NC5CCCCC5N4C.CO.CO.[N+](=O)(O)[O-].[N+](=O)(O)[O-].O.[Fe+2].[Fe+2]

InChI

InChI=1S/C21H34N5.C21H30N5.2CH4O.2Fe.2HNO3.H2O/c2*1-25-18-12-5-3-8-14(18)23-20(25)16-10-7-11-17(22-16)21-24-15-9-4-6-13-19(15)26(21)2;2*1-2;;;2*2-1(3)4;/h14-19H,3-13H2,1-2H3;7,10-11,14-16,18-19H,3-6,8-9,12-13H2,1-2H3;2*2H,1H3;;;2*(H,2,3,4);1H2/q2*-1;;;2*+2;;;